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DraconiticBiochemistryBiomolecules · Catabolism · Biosynthesis · Metabolism
Data

CA2 · ChEMBL activity 2393950

Ki source measurement: = 2.61 uM. No cross-assay comparison is prequalified.

Assay activity2393950In this release

Source assertion

ChEMBL direct single-protein activity record with source-reported and source-standardized lexical values preserved.
Evidence ID
ACTIVITY:ChEMBL_37:2393950
Subject dossier
ca2
Source chain
uniprot + chembl
Upstream record
2393950
Corpus snapshot
2026-07-14T09:23:31Z
Admission status
In this release

Lossless activity measurement

Source-reported value
= 2.61 uM
Source-standardized value
= 2610.0 nM
Reported endpoint
Ki
Standardized endpoint
Ki
Reported upper bound
not reported by the source
Reported text value
not reported by the source
Standardization flag
1
pChEMBL from source
5.58

Reported and source-standardized fields are displayed separately and retain their exact lexical values. The standardized field does not overwrite the upstream report.

Not comparable with other recordsCONDITION_MISSING

No cross-assay comparison is authorized by this record. Evaluate target, construct, endpoint, relation, units, assay format, conditions, and exact molecular form first.

Assay and target

ChEMBL activity
2393950
Target
CHEMBL205, SINGLE PROTEIN
Assay
CHEMBL1005300, Binding (B)
BAO format
BAO_0000357, single protein format
BAO endpoint
BAO_0000192
Target confidence
9, Direct single protein target assigned
Source quality flags
potential_duplicate=0; data_validity_comment=not reported by the source
Upstream assay description

Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay

Compound identity

Molecule
CHEMBL453731, not reported by the source
Parent form
CHEMBL453731; is_parent_form=true
Molecule type
Small molecule
Chirality source code
-1
Standard InChIKey
FHLMWCQAIOTWHF-UHFFFAOYSA-N
Canonical SMILES
NS(=O)(=O)c1ccc(CNC(=O)NC2CC2c2ccccc2)cc1
Standard InChI
InChI=1S/C17H19N3O3S/c18-24(22,23)14-8-6-12(7-9-14)11-19-17(21)20-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H2,18,22,23)(H2,19,20,21)

Document

Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors.

Thiry A, Ledecq M, Cecchi A, Frederick R, Dogné JM, Supuran CT, Wouters J, Masereel B.

ChEMBL document
CHEMBL1140874
Journal / year
Bioorg Med Chem, 2009
PubMed
19097911

Comparison state

Prequalified
No — pairwise evaluation is still required
Protein identity
P00918, taxon 9606
Variant / construct
not reported by the source / not reported by the source
Conditions
pH not reported by the source; temperature not reported by the source °C; substrate not reported by the source; buffer not reported by the source

Snapshot provenance

Each row is a source snapshot this record was built from: when it was retrieved, its path and SHA-256 digest, and the exact request. The snapshot files stay with the build and are not served here. These rows document this record; they are not general citations.

RetrievedSnapshotSHA-256Upstream request
2026-07-14T09:21:31Zraw/uniprot/entries/P00918.jsoned44906dd1b976f4c8b0399e9e3a7a4af09b673c035a201e218a4880821c1179Open exact source
2026-07-14T09:22:21Zraw/chembl/targets/CHEMBL205.jsona72211a98500a9ee255af420c327df455642440f828570896f227f637ac4d991Open exact source
2026-07-14T09:22:24Zraw/chembl/direct-assays/CHEMBL205.jsond77687649ad2c1120e6590de641bdef7dd078d9d00a04b12d1196c7031cceb65Open exact source
2026-07-14T09:22:51Zraw/chembl/assay-activities/CHEMBL1005300.json511a25bfac2313b1d52583bbb4eb8db29ac7b6d99b4f3fd44d1d43484854ff41Open exact source
2026-07-14T09:23:18Zraw/chembl/activities/2393950.json14c2394dc399a489591bf38b91dafc2259a2ce81e6ed19843e8c23c6899a652fOpen exact source
2026-07-14T09:23:17Zraw/chembl/assays/CHEMBL1005300.jsone895049b7bebd164377fef0f20a57e7610616676f31d81bdd3f16f7de147dedaOpen exact source
2026-07-14T09:23:16Zraw/chembl/molecules/CHEMBL453731.jsonac2ac067201795f30cf5d7d71f2cac144d0f7f2954ffc4585155a32b5ed1bd4aOpen exact source
2026-07-14T09:23:16Zraw/chembl/documents/CHEMBL1140874.json5a0de2f553e1e104a2657499ea9fd3e4827f85a6189b4b635842b43fa81c864eOpen exact source